5-[(2R,5S)-5-methyloxolan-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole

C14H16N2O3 — CID 129381348

IUPAC5-[(2R,5S)-5-methyloxolan-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
SMILESC[C@H]1CC[C@H](c2nc(COc3ccccc3)no2)O1
InChIInChI=1S/C14H16N2O3/c1-10-7-8-12(18-10)14-15-13(16-19-14)9-17-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12+/m0/s1
InChIKeyQSWXTZBKJPXTIG-CMPLNLGQSA-N
MW260.29 g/mol
LogP2.89
Rot. Bonds4

About 5-[(2R,5S)-5-methyloxolan-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole

5-[(2R,5S)-5-methyloxolan-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole (PubChem CID 129381348) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-[(2R,5S)-5-methyloxolan-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R,5S)-5-methyloxolan-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
PubChem CID129381348
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-[(2R,5S)-5-methyloxolan-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
SMILESC[C@H]1CC[C@H](c2nc(COc3ccccc3)no2)O1
InChIInChI=1S/C14H16N2O3/c1-10-7-8-12(18-10)14-15-13(16-19-14)9-17-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12+/m0/s1
InChIKeyQSWXTZBKJPXTIG-CMPLNLGQSA-N
XLogP2.89
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,5R)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 129372919
5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 138999515
[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 81327285
cis-(1S,3R)-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323295
(2S)-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120836385
3-[(4-chlorophenyl)methyl]-5-[(2R,5S)-5-methyloxolan-2-yl]-1,2,4-oxadiazole
CID 129381422
3-(phenoxymethyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62717200
5-[(1S)-1-cyclopropylethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 99818778
4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83200622
N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66235822
4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-one
CID 83200610
3-[(3,4-dimethoxyphenyl)methyl]-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole
CID 128995179

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,5S)-5-methyloxolan-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R,5S)-5-methyloxolan-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole (CID 129381348) is 5-[(2R,5S)-5-methyloxolan-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R,5S)-5-methyloxolan-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R,5S)-5-methyloxolan-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole is C[C@H]1CC[C@H](c2nc(COc3ccccc3)no2)O1.
What is the InChIKey of 5-[(2R,5S)-5-methyloxolan-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The InChIKey is QSWXTZBKJPXTIG-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-7-8-12(18-10)14-15-13(16-19-14)9-17-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12+/m0/s1.
What are the key properties of 5-[(2R,5S)-5-methyloxolan-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
5-[(2R,5S)-5-methyloxolan-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole has a molecular weight of 260.29 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,5S)-5-methyloxolan-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 129381348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).